AIMC Topic: Heterocyclic Compounds

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Recent research frontiers of heterocycles as antifungal Agents: Insights from the past five years.

European journal of medicinal chemistry May 23, 2025
This review explores the growing global concern of fungal infections, particularly in immunocompromised individuals, and highlights the critical need for improved antifungal therapies. With the rise of multidrug-resistant strains, such as Candida aur...
Humans Microbial Sensitivity Tests Fungi Antifungal Agents Aspergillus fumigatus Molecular Structure Heterocyclic Compounds Mycoses
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Exploration of the prediction and generation patterns of heterocyclic aromatic amines in roast beef based on Genetic Algorithm combined with Support Vector Regression.

Food chemistry Aug 31, 2024
Heterocyclic aromatic amines (HAAs) are harmful byproducts in food heating. Therefore, exploring the prediction and generation patterns of HAAs is of great significance. In this study, genetic algorithm (GA) and support vector regression (SVR) are us...
Amines Red Meat Hot Temperature Heterocyclic Compounds Animals Cattle Support Vector Machine Algorithms Meat Meat Products Cooking
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Nanozyme-induced deep learning-assisted smartphone integrated colorimetric and fluorometric dual-mode for detection of tetracycline analogs.

Analytica chimica acta Feb 14, 2024
In this work, a colorimetric and fluorescent dual-mode probe controlled by NH-MIL-88 B (Fe, Ni) nanozymes was developed to visually detect tetracycline antibiotics (TCs) residues quantitatively, as well as accurately distinguish the four most widely ...
Hydrogen Peroxide Colorimetry Smartphone Anti-Bacterial Agents Deep Learning Heterocyclic Compounds Fluorescent Dyes Tetracycline Benzidines
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"Ring Breaker": Neural Network Driven Synthesis Prediction of the Ring System Chemical Space.

Journal of medicinal chemistry May 13, 2020
Ring systems in pharmaceuticals, agrochemicals, and dyes are ubiquitous chemical motifs. While the synthesis of common ring systems is well described and novel ring systems can be readily and computationally enumerated, the synthetic accessibility of...
Neural Networks, Computer Databases, Chemical Heterocyclic Compounds Chemistry Techniques, Synthetic Hydrocarbons, Cyclic
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High-throughput and sensitive analysis of urinary heterocyclic aromatic amines using isotope-dilution liquid chromatography-tandem mass spectrometry and robotic sample preparation system.

Analytical and bioanalytical chemistry Sep 29, 2016
Heterocyclic aromatic amines (HCAA) are listed by the US Food and Drug Administration (FDA) as harmful or potentially harmful constituents of tobacco smoke. However, quantifying HCAA exposure is challenging. In this study, we developed a sensitive, p...
Indicator Dilution Techniques Smoking Heterocyclic Compounds Amines Tandem Mass Spectrometry High-Throughput Screening Assays Humans Chromatography, Liquid Robotics Limit of Detection Equipment Design
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Measurement and ANN prediction of pH-dependent solubility of nitrogen-heterocyclic compounds.

Chemosphere May 15, 2015
Based on the solubility of 25 nitrogen-heterocyclic compounds (NHCs) measured by saturation shake-flask method, artificial neural network (ANN) was employed to the study of the quantitative relationship between the structure and pH-dependent solubili...
Neural Networks, Computer Water Models, Theoretical Heterocyclic Compounds Hydrogen-Ion Concentration Environmental Pollutants Solubility Nitrogen Quantitative Structure-Activity Relationship
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Heterocyclic-Based Analogues against Sarcine-Ricin Loop RNA from : Molecular Docking Study and Machine Learning Classifiers.

Medicinal chemistry (Shariqah (United Arab Emirates)) Jan 1, 2024
BACKGROUND: Heterocyclic-based drugs have strong bioactivities, are active pharmacophores, and are used to design several antibacterial drugs. Due to the diverse biodynamic properties of well-known heterocyclic cores, such as quinoline, indole, and i...
Molecular Docking Simulation Escherichia coli Heterocyclic Compounds Machine Learning Anti-Bacterial Agents RNA, Bacterial
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Improve the biodegradability of post-hydrothermal liquefaction wastewater with ozone: conversion of phenols and N-heterocyclic compounds.

Water science and technology : a journal of the International Association on Water Pollution Research Apr 1, 2017
Hydrothermal liquefaction is a promising technology to convert wet biomass into bio-oil. However, post-hydrothermal liquefaction wastewater (PHWW) is also produced during the process. This wastewater contains a high concentration of organic compounds...
Ozone Bioreactors Kinetics Organic Chemicals Hydroxyl Radical Wastewater Water Pollutants, Chemical Heterocyclic Compounds Biomass Phenols
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In silico assessment of the acute toxicity of chemicals: recent advances and new model for multitasking prediction of toxic effect.

Mini reviews in medicinal chemistry Jan 1, 2015
The assessment of acute toxicity is one of the most important stages to ensure the safety of chemicals with potential applications in pharmaceutical sciences, biomedical research, or any other industrial branch. A huge and indiscriminate number of to...
Cyclams Animals Fullerenes Drug Discovery Toxicological Phenomena Anti-HIV Agents Heterocyclic Compounds Neural Networks, Computer Vitamin B Complex Quantitative Structure-Activity Relationship Computer Simulation Databases, Pharmaceutical Benzylamines Thiamine Models, Molecular Antiprotozoal Agents Humans Pharmaceutical Preparations Tinidazole Models, Biological
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